Geometry & MOs

Info

ID:	124006
PubChem CID:	50869552
Reduced:	FCl2O2N3C26H26 (1)
Stoich.:	AB2C2D3E26F26 (1)
Weight, g/mol:	388.162077
ΔH_f, kcal/mol:	-99.75
Dipole, Da:	5.88
IP(EA), eV:	-8.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-ethyl-5-[(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)/C=C/3\C(=O)N(C(=O)N3)CC4=C(C=C(C=C4)Cl)Cl)C(=CC1(C)C)C

DOS

IR

Vibrations